methyl 3-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-propyl-amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-propyl-amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-propyl-amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-propylamino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-propylamino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-propyl-amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H27N5O5S MolecularWeight: 437.51318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)CC(=O)NC2=C(SC=C2)C(=O)OC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)CC(=O)NC2=C(SC=C2)C(=O)OC)N

InChI

InChI=1S/C19H27N5O5S/c1-4-6-9-24-16(20)14(17(26)22-19(24)28)23(8-5-2)11-13(25)21-12-7-10-30-15(12)18(27)29-3/h7,10H,4-6,8-9,11,20H2,1-3H3,(H,21,25)(H,22,26,28)