2-[[2-chloranyl-8-(methylamino)-4-[(phenylmethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

Systemtic Name: 2-[[2-chloranyl-8-(methylamino)-4-[(phenylmethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol Openeye Name: 2-[[4-(benzylamino)-2-chloro-8-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol CAS Name: 2-[[2-chloro-8-(methylamino)-4-[(phenylmethyl)amino]-6-pyrimido[5,4-d]pyrimidinyl]amino]ethanol IUPAC Name: 2-[[4-(benzylamino)-2-chloro-8-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol Traditional Name: 2-[[4-(benzylamino)-2-chloro-8-(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol Formula: C16H18ClN7O MolecularWeight: 359.81342

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=C(N=C2NCC3=CC=CC=C3)Cl)NCCO

Isomeric SMILES

CNC1=NC(=NC2=C1N=C(N=C2NCC3=CC=CC=C3)Cl)NCCO

InChI

InChI=1S/C16H18ClN7O/c1-18-13-11-12(22-16(24-13)19-7-8-25)14(23-15(17)21-11)20-9-10-5-3-2-4-6-10/h2-6,25H,7-9H2,1H3,(H,20,21,23)(H2,18,19,22,24)