9-[4-(aminomethyl)-2,6-dimethyl-phenyl]-N,N-dipropyl-pyrimido[4,5-b]indol-4-amine

Systemtic Name: 9-[4-(aminomethyl)-2,6-dimethyl-phenyl]-N,N-dipropyl-pyrimido[4,5-b]indol-4-amine Openeye Name: 9-[4-(aminomethyl)-2,6-dimethyl-phenyl]-N,N-dipropyl-pyrimido[4,5-b]indol-4-amine CAS Name: 9-[4-(aminomethyl)-2,6-dimethylphenyl]-N,N-dipropyl-4-pyrimido[4,5-b]indolamine IUPAC Name: 9-[4-(aminomethyl)-2,6-dimethylphenyl]-N,N-dipropylpyrimido[4,5-b]indol-4-amine Traditional Name: [9-[4-(aminomethyl)-2,6-dimethyl-phenyl]pyrimid[4,5-b]indol-4-yl]-dipropyl-amine Formula: C25H31N5 MolecularWeight: 401.54714

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=NC=NC2=C1C3=CC=CC=C3N2C4=C(C=C(C=C4C)CN)C

Isomeric SMILES

CCCN(CCC)C1=NC=NC2=C1C3=CC=CC=C3N2C4=C(C=C(C=C4C)CN)C

InChI

InChI=1S/C25H31N5/c1-5-11-29(12-6-2)24-22-20-9-7-8-10-21(20)30(25(22)28-16-27-24)23-17(3)13-19(15-26)14-18(23)4/h7-10,13-14,16H,5-6,11-12,15,26H2,1-4H3