N4-(1,3-benzodioxol-5-yl)-N6-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2-chlorobenzyl)amine Formula: C18H16ClN5O2 MolecularWeight: 369.80494

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)N

InChI

InChI=1S/C18H16ClN5O2/c19-13-4-2-1-3-11(13)8-21-17-16(20)18(23-9-22-17)24-12-5-6-14-15(7-12)26-10-25-14/h1-7,9H,8,10,20H2,(H2,21,22,23,24)