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

Systemtic Name: ethyl 5-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(3-methylbutyl)carbamoyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-isopentyl-carbamoyl]-1H-indole-2-carboxylate CAS Name: 5-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(3-methylbutyl)amino]-oxomethyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)carbamoyl]-1H-indole-2-carboxylate Traditional Name: 5-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-isoamyl-carbamoyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H33N5O5 MolecularWeight: 483.56002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC3=C(C=C2)NC(=C3)C(=O)OCC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC3=C(C=C2)NC(=C3)C(=O)OCC)N

InChI

InChI=1S/C25H33N5O5/c1-5-7-11-30-21(26)20(22(31)28-25(30)34)29(12-10-15(3)4)23(32)16-8-9-18-17(13-16)14-19(27-18)24(33)35-6-2/h8-9,13-15,27H,5-7,10-12,26H2,1-4H3,(H,28,31,34)