N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-ethyl-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-ethyl-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-ethylacetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C27H30N6O4S MolecularWeight: 534.6299

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

InChI

InChI=1S/C27H30N6O4S/c1-4-17(3)33-25(36)19-13-9-10-14-20(19)29-27(33)38-16-21(34)31(5-2)22-23(28)32(26(37)30-24(22)35)15-18-11-7-6-8-12-18/h6-14,17H,4-5,15-16,28H2,1-3H3,(H,30,35,37)