[1-(1-ethoxycarbonylcyclohexyl)carbonylpyrrolidin-2-yl]methyl 4-[2,6-bis(prop-2-enylamino)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: [1-(1-ethoxycarbonylcyclohexyl)carbonylpyrrolidin-2-yl]methyl 4-[2,6-bis(prop-2-enylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: [1-(1-ethoxycarbonylcyclohexanecarbonyl)pyrrolidin-2-yl]methyl 4-[2,6-bis(allylamino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2,6-bis(prop-2-enylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid [1-[(1-ethoxycarbonylcyclohexyl)-oxomethyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [1-(1-ethoxycarbonylcyclohexanecarbonyl)pyrrolidin-2-yl]methyl 4-[2,6-bis(prop-2-enylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2,6-bis(allylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid [1-(1-carbethoxycyclohexanecarbonyl)pyrrolidin-2-yl]methyl ester Formula: C30H45N7O5 MolecularWeight: 583.7222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1)C(=O)N2CCCC2COC(=O)N3CCN(CC3)C4=CC(=NC(=N4)NCC=C)NCC=C

Isomeric SMILES

CCOC(=O)C1(CCCCC1)C(=O)N2CCCC2COC(=O)N3CCN(CC3)C4=CC(=NC(=N4)NCC=C)NCC=C

InChI

InChI=1S/C30H45N7O5/c1-4-14-31-24-21-25(34-28(33-24)32-15-5-2)35-17-19-36(20-18-35)29(40)42-22-23-11-10-16-37(23)26(38)30(27(39)41-6-3)12-8-7-9-13-30/h4-5,21,23H,1-2,6-20,22H2,3H3,(H2,31,32,33,34)