N4-(3-bromophenyl)-N6-(oxan-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-(oxan-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-tetrahydropyran-4-yl-pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-(4-oxanyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(oxan-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]-tetrahydropyran-4-yl-amine Formula: C17H17BrN6O MolecularWeight: 401.26048

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1COCCC1NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C17H17BrN6O/c18-11-2-1-3-13(8-11)22-16-15-14(20-10-21-16)9-19-17(24-15)23-12-4-6-25-7-5-12/h1-3,8-10,12H,4-7H2,(H,19,23,24)(H,20,21,22)