N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-thiophene-3-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-thiophene-3-carboxamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-thiophene-3-carboxamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-3-thiophenecarboxamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butylthiophene-3-carboxamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-thiophene-3-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-2-3-10-23(19(26)15-9-11-28-13-15)16-17(21)24(20(27)22-18(16)25)12-14-7-5-4-6-8-14/h4-9,11,13H,2-3,10,12,21H2,1H3,(H,22,25,27)