6-azanyl-1,3-dimethyl-5-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1,3-dimethyl-5-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-amino-1,3-dimethyl-5-[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1,3-dimethyl-5-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]pyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]propanoyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H27N5O4S MolecularWeight: 457.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(N(C(=O)N(C3=O)C)C)N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(N(C(=O)N(C3=O)C)C)N

InChI

InChI=1S/C22H27N5O4S/c1-12(2)10-11-27-19(29)14-8-6-7-9-15(14)24-21(27)32-13(3)17(28)16-18(23)25(4)22(31)26(5)20(16)30/h6-9,12-13H,10-11,23H2,1-5H3