N'-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)butane-1,4-diamine

Systemtic Name: N'-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)butane-1,4-diamine Openeye Name: N'-[6-phenyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]butane-1,4-diamine CAS Name: N'-[6-phenyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]butane-1,4-diamine IUPAC Name: N'-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)butane-1,4-diamine Traditional Name: 4-aminobutyl-(6-phenyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidin-2-yl)amine Formula: C21H28N6 MolecularWeight: 364.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2NC(=C3)C4=CC=CC=C4)NCCCCN

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2NC(=C3)C4=CC=CC=C4)NCCCCN

InChI

InChI=1S/C21H28N6/c22-11-5-6-12-23-21-25-18-15-17(16-9-3-1-4-10-16)24-19(18)20(26-21)27-13-7-2-8-14-27/h1,3-4,9-10,15,24H,2,5-8,11-14,22H2,(H,23,25,26)