N4-(3-bromophenyl)-N6-(oxolan-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-N6-(oxolan-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-(tetrahydrofuran-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-(2-oxolanylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(oxolan-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]-(tetrahydrofurfuryl)amine Formula: C17H17BrN6O MolecularWeight: 401.26048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CC(OC1)CNC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=CC=C4)Br

InChI

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