4-azanyl-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol

Systemtic Name: 4-azanyl-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol Openeye Name: 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(1-piperidyl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol CAS Name: 4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-bis(1-piperidinyl)-6-pyrimido[5,4-d]pyrimidinyl]-(2-hydroxyethyl)amino]ethanol IUPAC Name: 4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol Traditional Name: 4-amino-1-[(2R,5S)-5-methyloltetrahydrofuran-2-yl]pyrimidin-2-one; 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-dipiperidino-pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol Formula: C33H53N11O7 MolecularWeight: 715.84342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO.C1CC(OC1CO)N2C=CC(=NC2=O)N

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO.C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N

InChI

InChI=1S/C24H40N8O4.C9H13N3O3/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30;10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h33-36H,1-18H2;3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t;6-,8+/m.0/s1