2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

Systemtic Name: 2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: 7-(1-ethylpropyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: 2-[4-(4-methyl-1-piperazinyl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)anilino]-7-pentan-3-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: 7-(1-ethylpropyl)-2-[4-(4-methylpiperazino)anilino]-5H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C22H30N6O MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=O)CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CCC(CC)N1C(=O)CC2=CN=C(N=C21)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C22H30N6O/c1-4-18(5-2)28-20(29)14-16-15-23-22(25-21(16)28)24-17-6-8-19(9-7-17)27-12-10-26(3)11-13-27/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,23,24,25)