5-[3-[2-azanyl-3-(1H-indol-3-yl)propoxy]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[3-[2-azanyl-3-(1H-indol-3-yl)propoxy]phenyl]pyrimidine-2,4-diamine Openeye Name: 5-[3-[2-amino-3-(1H-indol-3-yl)propoxy]phenyl]pyrimidine-2,4-diamine CAS Name: 5-[3-[2-amino-3-(1H-indol-3-yl)propoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-[3-[2-amino-3-(1H-indol-3-yl)propoxy]phenyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-[2-amino-3-(1H-indol-3-yl)propoxy]phenyl]pyrimidin-4-yl]amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CC=CC(=C3)C4=CN=C(N=C4N)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CC=CC(=C3)C4=CN=C(N=C4N)N)N

InChI

InChI=1S/C21H22N6O/c22-15(8-14-10-25-19-7-2-1-6-17(14)19)12-28-16-5-3-4-13(9-16)18-11-26-21(24)27-20(18)23/h1-7,9-11,15,25H,8,12,22H2,(H4,23,24,26,27)