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

Systemtic Name: methyl 3-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H25N5O5S MolecularWeight: 423.4866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O5S/c1-4-6-8-23-15(19)13(16(25)21-18(23)27)22(5-2)10-12(24)20-11-7-9-29-14(11)17(26)28-3/h7,9H,4-6,8,10,19H2,1-3H3,(H,20,24)(H,21,25,27)