3-morpholin-4-yl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-morpholin-4-yl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-morpholino-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(4-morpholinyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-morpholin-4-yl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-morpholino-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C18H17N7O2S MolecularWeight: 395.43828

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1N2C(=NC3=CC=CC=C3C2=O)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1COCCN1N2C(=NC3=CC=CC=C3C2=O)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C18H17N7O2S/c26-18-12-3-1-2-4-13(12)23-14(25(18)24-5-7-27-8-6-24)9-28-17-15-16(20-10-19-15)21-11-22-17/h1-4,10-11H,5-9H2,(H,19,20,21,22)