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

Systemtic Name: 2-[(2-azanyl-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-3-cyclohexyl-N-[(4-isocyanophenyl)methyl]propanamide Openeye Name: 2-[(2-amino-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-3-cyclohexyl-N-[(4-isocyanophenyl)methyl]propanamide CAS Name: 2-[[2-amino-6-(1-pyrrolyl)-4-pyrimidinyl]amino]-3-cyclohexyl-N-[(4-isocyanophenyl)methyl]propanamide IUPAC Name: 2-[(2-amino-6-pyrrol-1-ylpyrimidin-4-yl)amino]-3-cyclohexyl-N-[(4-isocyanophenyl)methyl]propanamide Traditional Name: 2-[(2-amino-6-pyrrol-1-yl-pyrimidin-4-yl)amino]-3-cyclohexyl-N-(4-isocyanobenzyl)propionamide Formula: C25H29N7O MolecularWeight: 443.54406

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C25H29N7O/c1-27-20-11-9-19(10-12-20)17-28-24(33)21(15-18-7-3-2-4-8-18)29-22-16-23(31-25(26)30-22)32-13-5-6-14-32/h5-6,9-14,16,18,21H,2-4,7-8,15,17H2,(H,28,33)(H3,26,29,30,31)