2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(4-pyrrol-1-ylphenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(4-pyrrol-1-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-pyrrol-1-ylanilino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(1-pyrrolyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-pyrrol-1-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-pyrrol-1-ylanilino)pyrimidine-5-carboxamide Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)N4C=CC=C4)C(=O)N

Isomeric SMILES

C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)N4C=CC=C4)C(=O)N

InChI

InChI=1S/C21H25N7O/c22-17-5-1-2-6-18(17)26-21-24-13-16(19(23)29)20(27-21)25-14-7-9-15(10-8-14)28-11-3-4-12-28/h3-4,7-13,17-18H,1-2,5-6,22H2,(H2,23,29)(H2,24,25,26,27)/t17-,18+/m0/s1