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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-bromanyl-N-(phenylmethyl)thiophene-2-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-5-bromo-thiophene-2-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-5-bromo-N-(phenylmethyl)-2-thiophenecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-bromothiophene-2-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-5-bromo-thiophene-2-carboxamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC=C(S3)Br)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C3=CC=C(S3)Br)N

InChI

InChI=1S/C20H21BrN4O3S/c1-2-3-11-24-17(22)16(18(26)23-20(24)28)25(12-13-7-5-4-6-8-13)19(27)14-9-10-15(21)29-14/h4-10H,2-3,11-12,22H2,1H3,(H,23,26,28)