6-[(3,4-dimethoxyphenyl)methyl]-5-(1H-indol-5-yl)pyrimidine-2,4-diamine

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methyl]-5-(1H-indol-5-yl)pyrimidine-2,4-diamine Openeye Name: 6-[(3,4-dimethoxyphenyl)methyl]-5-(1H-indol-5-yl)pyrimidine-2,4-diamine CAS Name: 6-[(3,4-dimethoxyphenyl)methyl]-5-(1H-indol-5-yl)pyrimidine-2,4-diamine IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-5-(1H-indol-5-yl)pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(1H-indol-5-yl)-6-veratryl-pyrimidin-4-yl]amine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C(C(=NC(=N2)N)N)C3=CC4=C(C=C3)NC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C(C(=NC(=N2)N)N)C3=CC4=C(C=C3)NC=C4)OC

InChI

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