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

Systemtic Name: 3-cyclopentyl-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-cyclopentyl-N-[(4-isocyanophenyl)methyl]propanamide CAS Name: 3-cyclopentyl-N-[(4-isocyanophenyl)methyl]-2-[[2-(prop-2-enylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]propanamide IUPAC Name: 3-cyclopentyl-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-cyclopentyl-N-(4-isocyanobenzyl)propionamide Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CC(=N1)NC(CC2CCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CC=C4

Isomeric SMILES

C=CCNC1=NC(=CC(=N1)NC(CC2CCCC2)C(=O)NCC3=CC=C(C=C3)[N+]#[C-])N4C=CC=C4

InChI

InChI=1S/C27H31N7O/c1-3-14-29-27-32-24(18-25(33-27)34-15-6-7-16-34)31-23(17-20-8-4-5-9-20)26(35)30-19-21-10-12-22(28-2)13-11-21/h3,6-7,10-13,15-16,18,20,23H,1,4-5,8-9,14,17,19H2,(H,30,35)(H2,29,31,32,33)