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

Systemtic Name: 3-cyclohexyl-2-[[2-(cyclopropylmethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide Openeye Name: 3-cyclohexyl-2-[[2-(cyclopropylmethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide CAS Name: 3-cyclohexyl-2-[[2-(cyclopropylmethylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-N-[(4-isocyanophenyl)methyl]propanamide IUPAC Name: 3-cyclohexyl-2-[[2-(cyclopropylmethylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]-N-[(4-isocyanophenyl)methyl]propanamide Traditional Name: 3-cyclohexyl-2-[[2-(cyclopropylmethylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]-N-(4-isocyanobenzyl)propionamide Formula: C29H35N7O MolecularWeight: 497.6345

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(CC2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NCC5CC5

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CNC(=O)C(CC2CCCCC2)NC3=NC(=NC(=C3)N4C=CC=C4)NCC5CC5

InChI

InChI=1S/C29H35N7O/c1-30-24-13-11-23(12-14-24)19-31-28(37)25(17-21-7-3-2-4-8-21)33-26-18-27(36-15-5-6-16-36)35-29(34-26)32-20-22-9-10-22/h5-6,11-16,18,21-22,25H,2-4,7-10,17,19-20H2,(H,31,37)(H2,32,33,34,35)