3-cyclohexyl-N-[(4-isocyanophenyl)methyl]-2-[[2-(prop-2-enylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide

Systemtic Name: 3-cyclohexyl-N-[(4-isocyanophenyl)methyl]-2-[[2-(prop-2-enylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanamide Openeye Name: 2-[[2-(allylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-[(4-isocyanophenyl)methyl]propanamide CAS Name: 3-cyclohexyl-N-[(4-isocyanophenyl)methyl]-2-[[2-(prop-2-enylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]propanamide IUPAC Name: 3-cyclohexyl-N-[(4-isocyanophenyl)methyl]-2-[[2-(prop-2-enylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]propanamide Traditional Name: 2-[[2-(allylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-3-cyclohexyl-N-(4-isocyanobenzyl)propionamide Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CC=C4

Isomeric SMILES

C=CCNC1=NC(=CC(=N1)NC(CC2CCCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CC=C4

InChI

InChI=1S/C28H33N7O/c1-3-15-30-28-33-25(19-26(34-28)35-16-7-8-17-35)32-24(18-21-9-5-4-6-10-21)27(36)31-20-22-11-13-23(29-2)14-12-22/h3,7-8,11-14,16-17,19,21,24H,1,4-6,9-10,15,18,20H2,(H,31,36)(H2,30,32,33,34)