6-(1,3-benzodioxol-5-yl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Openeye Name: 6-(1,3-benzodioxol-5-yl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine CAS Name: 6-(1,3-benzodioxol-5-yl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine IUPAC Name: 6-(1,3-benzodioxol-5-yl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Traditional Name: [6-(1,3-benzodioxol-5-yl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(C(=NC=N2)N)N=C1C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1C(NC2=C(C(=NC=N2)N)N=C1C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C20H17N5O2/c21-19-18-20(23-10-22-19)25-14(12-4-2-1-3-5-12)9-15(24-18)13-6-7-16-17(8-13)27-11-26-16/h1-8,10,14H,9,11H2,(H3,21,22,23,25)