6-azanyl-1-methyl-5-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-methyl-5-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 5-[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-6-amino-1-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-1-methyl-5-[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-methyl-5-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 5-[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]-6-amino-1-methyl-pyrimidine-2,4-quinone Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)N

InChI

InChI=1S/C18H17N5O4S/c1-3-8-23-16(26)10-6-4-5-7-11(10)20-18(23)28-9-12(24)13-14(19)22(2)17(27)21-15(13)25/h3-7H,1,8-9,19H2,2H3,(H,21,25,27)