6-methyl-7-pentan-3-yl-N-(4-piperazin-1-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: 6-methyl-7-pentan-3-yl-N-(4-piperazin-1-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 7-(1-ethylpropyl)-6-methyl-N-(4-piperazin-1-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 6-methyl-7-pentan-3-yl-N-[4-(1-piperazinyl)phenyl]-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 6-methyl-7-pentan-3-yl-N-(4-piperazin-1-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [7-(1-ethylpropyl)-6-methyl-pyrrolo[2,3-d]pyrimidin-2-yl]-(4-piperazinophenyl)amine Formula: C22H30N6 MolecularWeight: 378.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCNCC4)C

Isomeric SMILES

CCC(CC)N1C(=CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCNCC4)C

InChI

InChI=1S/C22H30N6/c1-4-19(5-2)28-16(3)14-17-15-24-22(26-21(17)28)25-18-6-8-20(9-7-18)27-12-10-23-11-13-27/h6-9,14-15,19,23H,4-5,10-13H2,1-3H3,(H,24,25,26)