N4-[3-[(2S)-2-azanyl-3-(1H-indol-3-yl)propoxy]phenyl]pyrimidine-2,4-diamine

Systemtic Name: N4-[3-[(2S)-2-azanyl-3-(1H-indol-3-yl)propoxy]phenyl]pyrimidine-2,4-diamine Openeye Name: N4-[3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]phenyl]pyrimidine-2,4-diamine CAS Name: N4-[3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-[3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]phenyl]pyrimidine-2,4-diamine Traditional Name: [3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]phenyl]-(2-aminopyrimidin-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)NC4=NC(=NC=C4)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](COC3=CC=CC(=C3)NC4=NC(=NC=C4)N)N

InChI

InChI=1S/C21H22N6O/c22-15(10-14-12-25-19-7-2-1-6-18(14)19)13-28-17-5-3-4-16(11-17)26-20-8-9-24-21(23)27-20/h1-9,11-12,15,25H,10,13,22H2,(H3,23,24,26,27)/t15-/m0/s1