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

Systemtic Name: 4-azanyl-2-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl]thio]pyrimidine-5-carbonitrile Formula: C15H12N6OS MolecularWeight: 324.36038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C15H12N6OS/c1-8(23-15-18-7-9(6-16)12(17)20-15)13-19-11-5-3-2-4-10(11)14(22)21-13/h2-5,7-8H,1H3,(H2,17,18,20)(H,19,21,22)/t8-/m0/s1