N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-5-ethanoyl-thiophene-2-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-5-ethanoyl-thiophene-2-carboxamide Openeye Name: 5-acetyl-N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-thiophene-2-carboxamide CAS Name: 5-acetyl-N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-thiophenecarboxamide IUPAC Name: 5-acetyl-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butylthiophene-2-carboxamide Traditional Name: 5-acetyl-N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-thiophene-2-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(S3)C(=O)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(S3)C(=O)C

InChI

InChI=1S/C22H24N4O4S/c1-3-4-12-25(21(29)17-11-10-16(31-17)14(2)27)18-19(23)26(22(30)24-20(18)28)13-15-8-6-5-7-9-15/h5-11H,3-4,12-13,23H2,1-2H3,(H,24,28,30)