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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4,N4-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4,N4-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4,N4-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-bis(2-methoxyethyl)amine Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=NC=NC(=C1N)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCN(CCOC)C1=NC=NC(=C1N)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23N5O4/c1-23-7-5-22(6-8-24-2)17-15(18)16(19-10-20-17)21-12-3-4-13-14(9-12)26-11-25-13/h3-4,9-10H,5-8,11,18H2,1-2H3,(H,19,20,21)