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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)C3=C(N(C(=O)NC3=O)C4CC4)N

InChI

InChI=1S/C21H22ClN5O4S/c1-10(2)8-26-19(30)13-7-11(22)3-6-14(13)24-21(26)32-9-15(28)16-17(23)27(12-4-5-12)20(31)25-18(16)29/h3,6-7,10,12H,4-5,8-9,23H2,1-2H3,(H,25,29,31)