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

Systemtic Name: 6-azanyl-3-methyl-1-(2-methylpropyl)-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-isobutyl-3-methyl-pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-1-(2-methylpropyl)-5-[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-3-methyl-1-(2-methylpropyl)-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-isobutyl-3-methyl-pyrimidine-2,4-quinone Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)N

Isomeric SMILES

CC(C)CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)N

InChI

InChI=1S/C22H25N5O4S/c1-5-10-26-19(29)14-8-6-7-9-15(14)24-21(26)32-12-16(28)17-18(23)27(11-13(2)3)22(31)25(4)20(17)30/h5-9,13H,1,10-12,23H2,2-4H3