4-azanyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[(4-keto-1H-quinazolin-2-yl)methylthio]pyrimidine-5-carbonitrile Formula: C14H10N6OS MolecularWeight: 310.3338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C14H10N6OS/c15-5-8-6-17-14(20-12(8)16)22-7-11-18-10-4-2-1-3-9(10)13(21)19-11/h1-4,6H,7H2,(H2,16,17,20)(H,18,19,21)