4-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=NC(=NC(=C2C1)C3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

C1CCNC2=NC(=NC(=C2C1)C3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C15H16N4O2/c16-15-18-13(10-3-1-2-6-17-14(10)19-15)9-4-5-11-12(7-9)21-8-20-11/h4-5,7H,1-3,6,8H2,(H3,16,17,18,19)