Molecular structure of Nolatrexed (CAS NO.147149-76-6) is:
Product Name: Nolatrexed
CAS Registry Number: 147149-76-6
IUPAC Name: 2-amino-6-methyl-5-pyridin-4-ylsulfanyl-1H-quinazolin-4-one
Molecular Weight: 284.33628 [g/mol]
Molecular Formula: C14H12N4OS
XLogP3: 1.6
H-Bond Donor: 2
H-Bond Acceptor: 4
Index of Refraction: 1.747
Molar Refractivity: 78.97 cm3
Molar Volume: 194.3 cm3
Surface Tension: 61.7 dyne/cm
Density: 1.46 g/cm3
Flash Point: 252.3 °C
Enthalpy of Vaporization: 76.08 kJ/mol
Boiling Point: 493.6 °C at 760 mmHg
Vapour Pressure: 6.94E-10 mmHg at 25 °C
Classification Code: Antimetabolites ;Antimetabolites, Antineoplastic ;Antineoplastic Agents ;Enzyme Inhibitors ;Folic Acid Antagonists ;Noxae
Canonical SMILES: CC1=C(C2=C(C=C1)NC(=NC2=O)N)SC3=CC=NC=C3
InChI: InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19)
InChIKey: XHWRWCSCBDLOLM-UHFFFAOYSA-N
Nolatrexed , its cas register number is 147149-76-6. It also can be called Nolatrexed [INN] ; 2-Amino-6-methyl-5-(4-pyridylthio)-4(3H)-quinazolinone .It is a thymidylate synthase inhibitor.
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