2-[[7-[(phenylmethyl)amino]-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-6-yl]amino]ethanol

Systemtic Name: 2-[[7-[(phenylmethyl)amino]-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-6-yl]amino]ethanol Openeye Name: 2-[[7-(benzylamino)-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridin-6-yl]amino]ethanol CAS Name: 2-[[7-[(phenylmethyl)amino]-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-6-pteridinyl]amino]ethanol IUPAC Name: 2-[[7-(benzylamino)-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-6-yl]amino]ethanol Traditional Name: 2-[[7-(benzylamino)-2-piperazino-4-pyrrolidino-pteridin-6-yl]amino]ethanol Formula: C23H31N9O MolecularWeight: 449.55194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)NCCO)N5CCNCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)NCCO)N5CCNCC5

InChI

InChI=1S/C23H31N9O/c33-15-10-25-20-21(26-16-17-6-2-1-3-7-17)28-19-18(27-20)22(31-11-4-5-12-31)30-23(29-19)32-13-8-24-9-14-32/h1-3,6-7,24,33H,4-5,8-16H2,(H,25,27)(H,26,28,29,30)