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

Systemtic Name: 5-[[3-(1H-indol-5-yl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-(1H-indol-5-yl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-(1H-indol-5-yl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-(1H-indol-5-yl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(1H-indol-5-yl)-4,5-dimethoxy-benzyl]pyrimidin-4-yl]amine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CC4=C(C=C3)NC=C4)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CC4=C(C=C3)NC=C4)OC

InChI

InChI=1S/C21H21N5O2/c1-27-18-9-12(7-15-11-25-21(23)26-20(15)22)8-16(19(18)28-2)13-3-4-17-14(10-13)5-6-24-17/h3-6,8-11,24H,7H2,1-2H3,(H4,22,23,25,26)