N4-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-piperonyl-amine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H21N5O2/c22-19-20(23-10-14-5-6-17-18(9-14)28-13-27-17)24-12-25-21(19)26-8-7-15-3-1-2-4-16(15)11-26/h1-6,9,12H,7-8,10-11,13,22H2,(H,23,24,25)