2-[(1S)-1-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[(3-allyl-4-amino-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[(3-allyl-4-amino-6-keto-1H-pyrimidin-3-ium-2-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C17H18N5O2S+ MolecularWeight: 356.42212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=[N+](C(=CC(=O)N3)N)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O2S/c1-3-8-22-13(18)9-14(23)20-17(22)25-10(2)15-19-12-7-5-4-6-11(12)16(24)21-15/h3-7,9-10H,1,8H2,2H3,(H3,18,19,21,23,24)/p+1/t10-/m0/s1