6-azanyl-5-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]-1-(2-methylpropyl)pyrimidine-2,4-dione Openeye Name: 5-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]-6-amino-1-isobutyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-1-(2-methylpropyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione Traditional Name: 5-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]-6-amino-1-isobutyl-pyrimidine-2,4-quinone Formula: C21H22ClN5O4S MolecularWeight: 475.94848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)NC1=O)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)N

InChI

InChI=1S/C21H22ClN5O4S/c1-4-7-26-19(30)13-6-5-12(22)8-14(13)24-21(26)32-10-15(28)16-17(23)27(9-11(2)3)20(31)25-18(16)29/h4-6,8,11H,1,7,9-10,23H2,2-3H3,(H,25,29,31)