2-[[4-[(phenylmethyl)amino]-8-piperidin-1-yl-pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol

Systemtic Name: 2-[[4-[(phenylmethyl)amino]-8-piperidin-1-yl-pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol Openeye Name: 2-[[4-(benzylamino)-8-(1-piperidyl)pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol CAS Name: 2-[[4-[(phenylmethyl)amino]-8-(1-piperidinyl)-2-pyrimido[5,4-d]pyrimidinyl]amino]ethanol IUPAC Name: 2-[[4-(benzylamino)-8-piperidin-1-ylpyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol Traditional Name: 2-[[4-(benzylamino)-8-piperidino-pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol Formula: C20H25N7O MolecularWeight: 379.4588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2N=C(N=C3NCC4=CC=CC=C4)NCCO

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2N=C(N=C3NCC4=CC=CC=C4)NCCO

InChI

InChI=1S/C20H25N7O/c28-12-9-21-20-25-17-16(18(26-20)22-13-15-7-3-1-4-8-15)23-14-24-19(17)27-10-5-2-6-11-27/h1,3-4,7-8,14,28H,2,5-6,9-13H2,(H2,21,22,25,26)