N6-(1,3-benzodioxol-5-yl)-N4-(2-methoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-methoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-methoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-methoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2-methoxyphenyl)amine Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N5O3/c1-24-13-5-3-2-4-12(13)23-18-16(19)17(20-9-21-18)22-11-6-7-14-15(8-11)26-10-25-14/h2-9H,10,19H2,1H3,(H2,20,21,22,23)