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

Systemtic Name: 6-azanyl-5-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-3-methyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-3-methyl-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]-3-methyl-1-propyl-pyrimidine-2,4-quinone Formula: C22H27N5O4S MolecularWeight: 457.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)N(C3=O)C)CCC)N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=O)N(C3=O)C)CCC)N

InChI

InChI=1S/C22H27N5O4S/c1-4-6-12-27-19(29)14-9-7-8-10-15(14)24-21(27)32-13-16(28)17-18(23)26(11-5-2)22(31)25(3)20(17)30/h7-10H,4-6,11-13,23H2,1-3H3