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

Systemtic Name: methyl 1-[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-methyl-amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-methyl-amino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-methylamino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-methyl-amino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)OC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)CN2C=C(C3=CC=CC=C32)C(=O)OC)N

InChI

InChI=1S/C21H25N5O5/c1-4-5-10-26-18(22)17(19(28)23-21(26)30)24(2)16(27)12-25-11-14(20(29)31-3)13-8-6-7-9-15(13)25/h6-9,11H,4-5,10,12,22H2,1-3H3,(H,23,28,30)